SCHEMBL10157253

SCHEMBL10157253

Cc1nc2cccc(F)c2c(I)c1[C@H](OC(C)(C)C)C(=O)N1C(=O)OC[C@H]1Cc1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 1/20 0.36
▸ CYP3A4 P08684 1/20 0.35
▸ NR1I2 O75469 1/20 0.33
▸ IDH1 O75874 7/20 0.32
▸ CSNK2B P67870 1/20 0.31
▸ CSNK2A1 P68400 1/20 0.31
▸ NAAA Q02083 1/20 0.31
▸ FAAH O00519 1/20 0.30
▸ DPP4 P27487 1/20 0.30
▸ PSIP1 O75475 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL15132901 0.92 PPARA (0.37) PPARACYP3A4NR1I2IDH1CSNK2B
SCHEMBL10157233 0.89 CYP3A4 (0.37) PPARACYP3A4IDH1CSNK2BCSNK2A1
SCHEMBL15132883 0.89 CYP3A4 (0.37) PPARACYP3A4IDH1CSNK2BCSNK2A1
SCHEMBL8511405 0.80 — —
SCHEMBL6121101 0.80 — —
SCHEMBL12533450 0.80 PPARA (0.36) PPARACYP3A4IDH1CSNK2BCSNK2A1
SCHEMBL12604346 0.79 ALDH1A1 (0.33) PPARACYP3A4
SCHEMBL14405276 0.75 PPARA (0.37) PPARACYP3A4NR1I2IDH1CSNK2B
SCHEMBL12604350 0.75 CNR2 (0.36) PPARACSNK2BCSNK2A1
SCHEMBL13862936 0.74 CACNA1G (0.35) PPARAIDH1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8377960-B2 Inhibitors of human immunodeficiency virus replication GILEAD SCIENCES, INC. (US) 2013-02-19 — — US disclosed
US-8377960-B2 Inhibitors of human immunodeficiency virus replication GILEAD SCIENCES, INC. (US) 2013-02-19 — — US disclosed
EP-2220076-B1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGELHEIM INT (DE) 2012-01-18 — — EP disclosed
US-20110028464-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGLEHEIM INTERNATIONAL GMBH (DE) 2011-02-03 — — US disclosed
US-20110028464-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGLEHEIM INTERNATIONAL GMBH (DE) 2011-02-03 — — US disclosed
WO-2009062289-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-22 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110028464-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION RTF2, REV1, RTF1 PPARA 4872/4885CYP3A4 1577/4885NR1I2 1457/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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